7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid

C20H16FN3O3 — CID 67974903

IUPAC7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C(=O)O)n1
InChIInChI=1S/C20H16FN3O3/c1-10-2-5-13(21)7-14(10)16-6-12-9-22-17(24-19(25)11-3-4-11)8-15(12)18(23-16)20(26)27/h2,5-9,11H,3-4H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyVJPRUEQKQFEUKE-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.79
Rot. Bonds4

About 7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid

7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid (PubChem CID 67974903) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid
PubChem CID67974903
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC Name7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C(=O)O)n1
InChIInChI=1S/C20H16FN3O3/c1-10-2-5-13(21)7-14(10)16-6-12-9-22-17(24-19(25)11-3-4-11)8-15(12)18(23-16)20(26)27/h2,5-9,11H,3-4H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyVJPRUEQKQFEUKE-UHFFFAOYSA-N
XLogP3.79
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-(5-fluoro-2-methylphenyl)-5-methylsulfinyl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 129170091
N-[7-(5-fluoro-2-methylphenyl)-5-(1H-pyrazol-4-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115145
(1R)-N-[7-(5-fluoro-2-methylphenyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 71134963
N-[8-methyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 142447484
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[7-(5-chloro-2-methoxyphenyl)isoquinolin-3-yl]cyclopropanecarboxamide;7-(5-fluoro-2-methylphenyl)isoquinolin-3-amine
CID 129159059
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[5-methyl-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626822
2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123806
N-[5-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171556220
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid?
The IUPAC name of 7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid (CID 67974903) is 7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C(=O)O)n1.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid?
The InChIKey is VJPRUEQKQFEUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-10-2-5-13(21)7-14(10)16-6-12-9-22-17(24-19(25)11-3-4-11)8-15(12)18(23-16)20(26)27/h2,5-9,11H,3-4H2,1H3,(H,26,27)(H,22,24,25).
What are the key properties of 7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid?
7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid has a molecular weight of 365.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-3-(5-fluoro-2-methylphenyl)-2,6-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 67974903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).